1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide

C22H27ClN4O2 — CID 67508976

IUPAC1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CC[C@@H](O)C3)CC2)ncc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-14-3-2-8-24-21(14)18-12-20(25-13-19(18)23)27-9-6-15(7-10-27)22(29)26-16-4-5-17(28)11-16/h2-3,8,12-13,15-17,28H,4-7,9-11H2,1H3,(H,26,29)/t16-,17-/m1/s1
InChIKeyWCLLDRLJFCQECL-IAGOWNOFSA-N
MW414.94 g/mol
LogP3.35
Rot. Bonds4

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide (PubChem CID 67508976) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide
PubChem CID67508976
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide
SMILESCc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CC[C@@H](O)C3)CC2)ncc1Cl
InChIInChI=1S/C22H27ClN4O2/c1-14-3-2-8-24-21(14)18-12-20(25-13-19(18)23)27-9-6-15(7-10-27)22(29)26-16-4-5-17(28)11-16/h2-3,8,12-13,15-17,28H,4-7,9-11H2,1H3,(H,26,29)/t16-,17-/m1/s1
InChIKeyWCLLDRLJFCQECL-IAGOWNOFSA-N
XLogP3.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide (CID 67508976) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)N[C@@H]3CC[C@@H](O)C3)CC2)ncc1Cl.
What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide?
The InChIKey is WCLLDRLJFCQECL-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H27ClN4O2/c1-14-3-2-8-24-21(14)18-12-20(25-13-19(18)23)27-9-6-15(7-10-27)22(29)26-16-4-5-17(28)11-16/h2-3,8,12-13,15-17,28H,4-7,9-11H2,1H3,(H,26,29)/t16-,17-/m1/s1.
What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide?
1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide has a molecular weight of 414.94 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[(1R,3R)-3-hydroxycyclopentyl]piperidine-4-carboxamide is sourced from PubChem (CID 67508976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).